2-cyclopropyl-2-(dimethylamino)acetic acid hydrochloride

• ChemBase ID: 241734
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C1(CC1)C(C(=O)O)N(C)C.Cl
• Canonical SMILES: CN(C(C(=O)O)C1CC1)C.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-8(2)6(7(9)10)5-3-4-5;/h5-6H,3-4H2,1-2H3,(H,9,10);1H
• InChIKey: GVUWSWNZDKAPTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-2-(dimethylamino)acetic acid hydrochloride
• IUPAC Traditional name: cyclopropyl(dimethylamino)acetic acid hydrochloride
• Synonyms: 2-cyclopropyl-2-(dimethylamino)acetic acid hydrochloride

Database IDs

• MDL Number: MFCD22565908
• PubChem SID: 164297644
• PubChem CID: 71756855

CALCULATED PROPERTIES

• Acid pKa: 1.8660911
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0698383
• LogD (pH = 7.4): -2.0702114
• Log P: -2.0697935
• Molar Refractivity: 37.76 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -1.028

Product Information

• Purity: 95%